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Angstrom6

CAT: 1410-M34159-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34159-02Size:5 mg
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Description
Angstrom6 (A-6 peptide) is an 8 amino acid peptide derived from single chain urokinase fibrinogen activator (scuPA) that interferes with the uPA/uPAR cascade and abrogates the downstream effects.Angstrom6 has antitumor activity and inhibits tumor cell migration, invasion, and metastasis by binding to CD44 and modulating CD44-mediated cell signaling.
CAS Number
220334-14-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
910.97
Molecular Formula
C39H62N10O15
Notes
Research use only, not for human use.
Receptor
PAI-1

Chemical Information

Angstrom6
CAS Number220334-14-5
PubChem CID42638946
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
Molecular FormulaC39H62N10O15
Molecular Weight911.0
XLogP-7.6
Topological Polar Surface Area391
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count25
Heavy Atom Count64
Formal Charge0
Complexity1750
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
InChI
InChI=1S/C39H62N10O15/c1-21(52)42-24(7-2-3-15-40)37(62)47-16-4-8-27(47)36(61)45-25(19-50)34(59)46-26(20-51)38(63)49-18-6-10-29(49)39(64)48-17-5-9-28(48)35(60)44-23(12-14-31(55)56)33(58)43-22(32(41)57)11-13-30(53)54/h22-29,50-51H,2-20,40H2,1H3,(H2,41,57)(H,42,52)(H,43,58)(H,44,60)(H,45,61)(H,46,59)(H,53,54)(H,55,56)/t22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChIKey
NJSODKGEFNFGRI-PJYAFMLMSA-N
Chemical Structure
2D Structure
2D structure of Angstrom6
CAS: 220334-14-5
CID: 42638946
Formula: C39H62N10O15
MW: 911.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight911.0
XLogP3-7.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count25
Exact Mass910.43961131
Monoisotopic Mass910.43961131
Topological Polar Surface Area391 Ų
Heavy Atom Count64
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes